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Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis- butoxyphenyl)-ethyl]-propylenediamine (dpd), 1:2 complex

Analyse Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1QIV
Type: protein
Length: 144 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin
UniProt: P02593
Ligands: DPD, CA
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin	protein	144	58% helix, 4% strand	P02593

Ligands and binding sites

DPD · N-(3,3,-diphenylpropyl)-N'-[1-R-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine · ligand · 2 copies · chains A
CA · Calcium ion · metal · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	934	0.74	0.77	48	DPD

Compared structures

1QIV · Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-pr… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P02593
Elsewhere: RCSB PDB 1QIV · PDBe 1QIV · UniProt P02593

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